9-[4-[2-(3,5-ditert-butylphenyl)propan-2-yl]-2-pyridinyl]carbazol-2-ol

C34H38N2O — CID 139035892

IUPAC9-[4-[2-(3,5-ditert-butylphenyl)propan-2-yl]-2-pyridinyl]carbazol-2-ol
SMILESCC(C)(C)c1cc(C(C)(C)C)cc(C(C)(C)c2ccnc(-n3c4ccccc4c4ccc(O)cc43)c2)c1
InChIInChI=1S/C34H38N2O/c1-32(2,3)23-17-24(33(4,5)6)19-25(18-23)34(7,8)22-15-16-35-31(20-22)36-29-12-10-9-11-27(29)28-14-13-26(37)21-30(28)36/h9-21,37H,1-8H3
InChIKeyLAKNFROVXDZGJN-UHFFFAOYSA-N
MW490.69 g/mol
LogP8.81
Rot. Bonds3

About 9-[4-[2-(3,5-ditert-butylphenyl)propan-2-yl]-2-pyridinyl]carbazol-2-ol

9-[4-[2-(3,5-ditert-butylphenyl)propan-2-yl]-2-pyridinyl]carbazol-2-ol (PubChem CID 139035892) has the molecular formula C34H38N2O and a molecular weight of 490.69 g/mol. Its IUPAC name is 9-[4-[2-(3,5-ditert-butylphenyl)propan-2-yl]-2-pyridinyl]carbazol-2-ol.

Molecular Properties

Compound Name9-[4-[2-(3,5-ditert-butylphenyl)propan-2-yl]-2-pyridinyl]carbazol-2-ol
PubChem CID139035892
Molecular FormulaC34H38N2O
Molecular Weight490.69 g/mol
Exact Mass490.30
IUPAC Name9-[4-[2-(3,5-ditert-butylphenyl)propan-2-yl]-2-pyridinyl]carbazol-2-ol
SMILESCC(C)(C)c1cc(C(C)(C)C)cc(C(C)(C)c2ccnc(-n3c4ccccc4c4ccc(O)cc43)c2)c1
InChIInChI=1S/C34H38N2O/c1-32(2,3)23-17-24(33(4,5)6)19-25(18-23)34(7,8)22-15-16-35-31(20-22)36-29-12-10-9-11-27(29)28-14-13-26(37)21-30(28)36/h9-21,37H,1-8H3
InChIKeyLAKNFROVXDZGJN-UHFFFAOYSA-N
XLogP8.81
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.69
LogP ≤ 58.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-(4-tert-butyl-2-pyridinyl)carbazole
CID 141429222
9-(4-tert-butyl-2-pyridinyl)-6-fluorocarbazol-2-ol
CID 167432956
9-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]carbazol-2-ol
CID 171608916
5'-(4-tert-butyl-2-pyridinyl)spiro[fluorene-9,7'-indeno[2,1-b]carbazole]-3'-ol
CID 177099177
2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-9-pyridin-2-ylcarbazole
CID 160515375
2-[2-[3-tert-butyl-5-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenyl]propan-2-yl]-6-(1,1-diphenylethyl)-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 162141528
2-(3-tert-butyl-5-pyridin-2-ylphenoxy)-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 158919031
5-(4-tert-butyl-2-pyridinyl)-7H-indolo[2,3-b]carbazole
CID 164823619
2-[2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenyl]propan-2-yl]-6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155651583
2-[3-tert-butyl-5-[3-[3-tert-butyl-5-(2-phenylpropan-2-yl)phenyl]-5-(2-phenylpropan-2-yl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 161005655
9-(4-tert-butyl-6-carbazol-9-yl-2-pyridinyl)carbazole
CID 155452447
2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 161047690

Frequently Asked Questions

What is the IUPAC name of 9-[4-[2-(3,5-ditert-butylphenyl)propan-2-yl]-2-pyridinyl]carbazol-2-ol?
The IUPAC name of 9-[4-[2-(3,5-ditert-butylphenyl)propan-2-yl]-2-pyridinyl]carbazol-2-ol (CID 139035892) is 9-[4-[2-(3,5-ditert-butylphenyl)propan-2-yl]-2-pyridinyl]carbazol-2-ol.
What is the SMILES notation for 9-[4-[2-(3,5-ditert-butylphenyl)propan-2-yl]-2-pyridinyl]carbazol-2-ol?
The canonical SMILES for 9-[4-[2-(3,5-ditert-butylphenyl)propan-2-yl]-2-pyridinyl]carbazol-2-ol is CC(C)(C)c1cc(C(C)(C)C)cc(C(C)(C)c2ccnc(-n3c4ccccc4c4ccc(O)cc43)c2)c1.
What is the InChIKey of 9-[4-[2-(3,5-ditert-butylphenyl)propan-2-yl]-2-pyridinyl]carbazol-2-ol?
The InChIKey is LAKNFROVXDZGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38N2O/c1-32(2,3)23-17-24(33(4,5)6)19-25(18-23)34(7,8)22-15-16-35-31(20-22)36-29-12-10-9-11-27(29)28-14-13-26(37)21-30(28)36/h9-21,37H,1-8H3.
What are the key properties of 9-[4-[2-(3,5-ditert-butylphenyl)propan-2-yl]-2-pyridinyl]carbazol-2-ol?
9-[4-[2-(3,5-ditert-butylphenyl)propan-2-yl]-2-pyridinyl]carbazol-2-ol has a molecular weight of 490.69 g/mol, XLogP of 8.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[2-(3,5-ditert-butylphenyl)propan-2-yl]-2-pyridinyl]carbazol-2-ol is sourced from PubChem (CID 139035892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).